1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one

C9H12FN3O — CID 66693164

IUPAC1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one
SMILESNC1CNCC1n1cc(F)ccc1=O
InChIInChI=1S/C9H12FN3O/c10-6-1-2-9(14)13(5-6)8-4-12-3-7(8)11/h1-2,5,7-8,12H,3-4,11H2
InChIKeyWEDUQKIXZZQNDI-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.54
Rot. Bonds1

About 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one

1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one (PubChem CID 66693164) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one.

Molecular Properties

Compound Name1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one
PubChem CID66693164
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one
SMILESNC1CNCC1n1cc(F)ccc1=O
InChIInChI=1S/C9H12FN3O/c10-6-1-2-9(14)13(5-6)8-4-12-3-7(8)11/h1-2,5,7-8,12H,3-4,11H2
InChIKeyWEDUQKIXZZQNDI-UHFFFAOYSA-N
XLogP-0.54
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4S)-4-aminopyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693163
1-[(3R,4R)-4-aminopyrrolidin-3-yl]-5-fluoropyridin-2-one
CID 66693165
1-(3-Aminopropyl)-5-fluoro-1,2-dihydropyridin-2-one
CID 82146483
1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449082
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(propan-2-ylamino)pyridin-2-one
CID 137449101
3-Amino-1-[1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
CID 137450457
3-amino-1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
CID 137450698
3-amino-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
CID 137450782
1-[(3S)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one
CID 139383765
1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]-3-(methylamino)pyridin-2-one
CID 139383808
N-(4-fluoro-1-methylpyrrolidin-3-yl)prop-2-enamide
CID 155030598
3-(chloroamino)-1-[(3R)-1-(2-fluoroethyl)pyrrolidin-3-yl]pyridin-2-one
CID 166023576

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one?
The IUPAC name of 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one (CID 66693164) is 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one.
What is the SMILES notation for 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one?
The canonical SMILES for 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one is NC1CNCC1n1cc(F)ccc1=O.
What is the InChIKey of 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one?
The InChIKey is WEDUQKIXZZQNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-6-1-2-9(14)13(5-6)8-4-12-3-7(8)11/h1-2,5,7-8,12H,3-4,11H2.
What are the key properties of 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one?
1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one has a molecular weight of 197.21 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopyrrolidin-3-yl)-5-fluoropyridin-2-one is sourced from PubChem (CID 66693164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).